Structure Database (LMSD)

Common Name
9Z,11Z-Hexadecadienal
Systematic Name
9Z,11Z-Hexadecadienal
Synonyms
LM ID
LMFA06000225
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diatraea saccharalis (#40085)
Insecta (#50557)
Identification, syntheses, and characterization of the geometric isomers of 9,11-hexadecadienal from female pheromone glands of the sugar cane borer Diatraea saccharalis.,
J Nat Prod, 2002
Pubmed ID: 12088437

String Representations

InChiKey (Click to copy)
YLYWMNJAJOQSGH-ISTTXYCBSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8,16H,2-4,9-15H2,1H3/b6-5-,8-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C/CCCC)(=O)[H]

Other Databases

CHEBI ID
196162
PubChem CID
44256585

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

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Created at
-
Updated at
7th Jan 2025